3- (2-bromoethyl) oxetane

CAT: 1266-JH916355Size: 1 EachDry Ice: NoHazardous: No

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CAT#:1266-JH916355Size:1 Each

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CAS Number

1690754-22-3

Molecular Formula

C5H9BrO

Molecular Weight

165.03

Chemical Information

3-(2-Bromoethyl)oxetane

CAS Number	1690754-22-3
PubChem CID	21411173
IUPAC Name	3-(2-bromoethyl)oxetane
Molecular Formula	C5H9BrO
Molecular Weight	165.03
XLogP	1.2
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	7
Formal Charge	0
Complexity	52

SMILES

C1C(CO1)CCBr

InChI

InChI=1S/C5H9BrO/c6-2-1-5-3-7-4-5/h5H,1-4H2

InChIKey

GUQPQUZYJQVGNZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1690754-22-3

CID: 21411173

Formula: C5H9BrO

MW: 165.03

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	165.03
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	163.98368
Monoisotopic Mass	163.98368
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	52
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
JH918415	2- (2-bromoethyl) oxetane
JH917487	3- (bromomethyl) -3- (difluoromethyl) oxetane
JH96768	3- (2-bromoethyl) tetrahydrofur
JH917600	(S) -Oxetane-2-carbaldehyde
JH915333	Methyl oxetane-3-carboxylate
JH263318	2- (2-Bromoethyl) -1,3-dioxane
JH682394	1-bromo-3- (2-bromoethyl) benzene
JH351314	5- (2-bromoethyl) -1,3-benzodioxole
JH918429	2- (2-bromoethyl) -tetrahydrofuran
JH916711	3- (4-Methoxyphenyl) oxetane-3-sulfonyl fluoride